SCHEMBL30185245

SCHEMBL30185245

COC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2OC)c(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 3/20 0.47
▸ SCN9A Q15858 3/20 0.43
▸ P2RX7 Q99572 2/20 0.40
▸ ABL1 P00519 5/20 0.40
▸ FOXO1 Q12778 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ FFAR4 Q5NUL3 2/20 0.39
▸ ALPL P05186 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24986581 1.00 CRHR1 (0.47) CRHR1SCN9AP2RX7ABL1FOXO1
SCHEMBL30185193 0.91 FFAR4 (0.40) CRHR1SCN9AP2RX7FFAR4KCNH2
SCHEMBL30185210 0.91 FFAR4 (0.45) CRHR1SCN9AP2RX7ABL1FFAR4
SCHEMBL24985102 0.91 FFAR4 (0.45) CRHR1SCN9AP2RX7ABL1FFAR4
SCHEMBL24984427 0.91 FFAR4 (0.40) CRHR1SCN9AP2RX7FFAR4KCNH2
SCHEMBL24985128 0.89 SMN1; SMN2 (0.46) CRHR1P2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL30185197 0.85 CRHR1 (0.44) CRHR1SCN9A
SCHEMBL24985107 0.85 CRHR1 (0.44) CRHR1SCN9A
SCHEMBL24985614 0.84 SCN10A (0.46) ABL1
SCHEMBL30185200 0.84 SCN10A (0.46) ABL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT CRHR1 4125/4885SCN9A 4482/4885P2RX7 25/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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